SCHEMBL16998321

SCHEMBL16998321

CC[C@@]1(C(F)F)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 4/20 0.50
▸ STING1 Q86WV6 4/20 0.47
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ NT5E P21589 1/20 0.46
▸ PNP P00491 1/20 0.46
▸ GSK3A P49840 2/20 0.44
▸ RPS6KA3 P51812 2/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ TGM2 P21980 1/20 0.43
▸ KRAS P01116 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16998078 0.85 ADORA3 (0.54) HINT1STING1PDE3BPDE3AADORA3
SCHEMBL16998240 0.85 ADORA3 (0.54) HINT1STING1PDE3BPDE3AADORA3
SCHEMBL16991551 0.85 ADORA3 (0.54) HINT1STING1PDE3BPDE3AADORA3
SCHEMBL16991643 0.85 ADORA3 (0.54) HINT1STING1PDE3BPDE3AADORA3
SCHEMBL16998156 0.84 ADORA3 (0.52) HINT1STING1PDE3BPDE3AADORA3
SCHEMBL12851722 0.83 ADORA3 (0.53) HINT1STING1PDE3BPDE3AADORA3
SCHEMBL26269047 0.82 HINT1 (0.51) HINT1STING1PDE3BPDE3AADORA3
SCHEMBL26269037 0.82 HINT1 (0.51) HINT1STING1PDE3BPDE3AADORA3
SCHEMBL16997790 0.81 ADORA3 (0.51) HINT1STING1PDE3BPDE3AADORA3
SCHEMBL16997922 0.81 ADORA3 (0.51) HINT1STING1PDE3BPDE3AADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170296664-A1 4'-Difluoromethyl Substituted Nucleoside Derivatives as Inhibitors of Influenza RNA Replication RIBOSCIENCE LLC 2017-10-19 — — US disclosed
US-9370569-B2 4′-difluoromethyl substituted nucleoside derivatives as inhibitors of influenza RNA replication RIBOSCIENCE LLC (US) 2016-06-21 — — US disclosed
US-20150225441-A1 4'-Difluoromethyl Substituted Nucleoside Derivatives as Inhibitors of Influenza RNA Replication RIBOSCIENCE LLC 2015-08-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150225441-A1 4'-Difluoromethyl Substituted Nucleoside Derivatives as Inhibitors of Influenza RNA Replication RNMT, DUT, RNGTT HINT1 125/4885STING1 196/4885PDE3B 789/4885
US-20170296664-A1 4'-Difluoromethyl Substituted Nucleoside Derivatives as Inhibitors of Influenza RNA Replication RNMT, DUT, RNGTT HINT1 125/4885STING1 196/4885PDE3B 789/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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